5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione

C24H19FN4O4 — CID 46881648

IUPAC5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(OCc4ccncc4)ccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C24H19FN4O4/c25-18-3-1-17(2-4-18)24(22(31)27-23(32)28-24)14-29-12-16-11-19(5-6-20(16)21(29)30)33-13-15-7-9-26-10-8-15/h1-11H,12-14H2,(H2,27,28,31,32)
InChIKeyKUGLIACWEJGELJ-UHFFFAOYSA-N
MW446.44 g/mol
LogP2.49
Rot. Bonds6

About 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 46881648) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID46881648
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(OCc4ccncc4)ccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C24H19FN4O4/c25-18-3-1-17(2-4-18)24(22(31)27-23(32)28-24)14-29-12-16-11-19(5-6-20(16)21(29)30)33-13-15-7-9-26-10-8-15/h1-11H,12-14H2,(H2,27,28,31,32)
InChIKeyKUGLIACWEJGELJ-UHFFFAOYSA-N
XLogP2.49
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (CID 46881648) is 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3cc(OCc4ccncc4)ccc3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is KUGLIACWEJGELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c25-18-3-1-17(2-4-18)24(22(31)27-23(32)28-24)14-29-12-16-11-19(5-6-20(16)21(29)30)33-13-15-7-9-26-10-8-15/h1-11H,12-14H2,(H2,27,28,31,32).
What are the key properties of 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 446.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[[3-oxo-6-(pyridin-4-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46881648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).